Crystallography Open Database

Information card for entry 4087890

Preview

Coordinates	4087890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 Cl2 O P Pt S
Calculated formula	C16 H19 Cl2 O P Pt S
SMILES	[Pt]1(Cl)(Cl)[P@]2([C@H]3C[C@H]([C@@H]2C(=C3C)C)[S@@]1(C=C)=O)c1ccccc1
Title of publication	Metal Effects on the Asymmetric Cycloaddition Reaction between 3,4-Dimethyl-1-phenylphosphole and Sulfoxide
Authors of publication	Ma, Mengtao; Zhang, Na; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	20
Pages of publication	5081
a	9.4029 ± 0.0004 Å
b	11.0824 ± 0.0005 Å
c	17.4783 ± 0.0008 Å
α	90°
β	91.226 ± 0.003°
γ	90°
Cell volume	1820.94 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0221
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0482
Weighted residual factors for all reflections included in the refinement	0.0488
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237091 (current)	2019-11-24	cif/ Adding structures of 4087890 via cif-deposit CGI script.	4087890.cif